SCHEMBL8518555

SCHEMBL8518555

CCCc1ccc2c(c1)O[B]O2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA2 P00918 1/20 0.33
MGLL Q99685 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8519608 0.83 CYP2A6 (0.40) LPLLIPGTAAR1ALDH1A1CA2
SCHEMBL8601609 0.74 ALDH1A1 (0.42) CNR1CNR2ALOX5ALDH1A1CYP3A4
SCHEMBL28568044 0.73 CNR1 (0.44) CNR1CNR2LPLLIPGTAAR1
SCHEMBL8557291 0.73 ALDH1A1 (0.39) CNR1CNR2ALOX5ALDH1A1CYP3A4
SCHEMBL8518550 0.72 CNR1 (0.42) CNR1CNR2LPLLIPGTAAR1
SCHEMBL8255914 0.72 TAAR1 (0.52) TAAR1ALDH1A1
SCHEMBL429483 0.72 TAAR1 (0.67) TAAR1ALDH1A1CYP3A4
Bromide SCHEMBL29260497 0.71 TAAR1 (0.65) TAAR1ALDH1A1CYP3A4
SCHEMBL10274494 0.71 CNR1 (0.41) CNR1CNR2LPLLIPGTAAR1
SCHEMBL9589157 0.71 ALOX15 (0.50) CNR1CNR2LPLLIPGTAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed